기본 정보
- CAS
854758-17-1- 표준 SMILES
COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(-c2ccccn2)cc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N1CCN(Cc2ccccc2)C1=O)C(C)(C)C)C(C)(C)C- InChIKey
KMAMPFGXPHTYPQ-KMHPXQNHSA-N- 분자식
- C47H60N6O6
- 평균 분자량
- 805 g/mol
이름 및 식별자
- 우선 이름
- A-792611
- IUPAC
- methyl N-[(2S)-1-[[(2S,4S,5S)-5-[[(2S)-2-(3-benzyl-2-oxoimidazolidin-1-yl)-3,3-dimethylbutanoyl]amino]-4-hydroxy-6-phenyl-1-(4-pyridin-2-ylphenyl)hexan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
- 영어명
- A 792611
- 분자식
- C47H60N6O6
- 분자량
- 805.02
이름 및 동의어
114L0XB8FMA-792611A 792611854758-17-1Carbamic acid, ((1S)-1-((((1S,3S,4S)-4-(((2S)-3,3-dimethyl-1-oxo-2-(2-oxo-3-(phenylmethyl)-1-imidazolidinyl)butyl)amino)-3-hydroxy-5-phenyl-1-((4-(2-pyridinyl)phenyl)methyl)pentyl)amino)carbonyl)-2,2-dimethylpropyl)-, methyl esterCarbamic acid, N-((1S)-1-((((1S,3S,4S)-4-(((2S)-3,3-dimethyl-1-oxo-2-(2-oxo-3-(phenylmethyl)-1-imidazolidinyl)butyl)amino)-3-hydroxy-5-phenyl-1-((4-(2-pyridinyl)phenyl)methyl)pentyl)amino)carbonyl)-2,2-dimethylpropyl)-, methyl esterRefChem:914854A792611CHEMBL507731UNII-114L0XB8FMSCHEMBL31632550KMAMPFGXPHTYPQ-KMHPXQNHSA-N
이름 더 보기
Carbamic acid, N-[(1S)-1-[[[(1S,3S,4S)-4-[[(2S)-3,3-dimethyl-1-oxo-2-[2-oxo-3-(phenylmethyl)-1-imidazolidinyl]butyl]amino]-3-hydroxy-5-phenyl-1-[[4-(2-pyridinyl)phenyl]methyl]pentyl]amino]carbonyl]-2,2-dimethylpropyl]-, methyl ester
BDBM50267297Q27251255methyl (1S)-1-[({(1S,3S,4S)-4-{[(2S)-2-(3-benzyl-2-oxo-1-imidazolidinyl)-3,3-dimethylbutanoyl]amino}-3-hydroxy-5-phenyl-1-[4-(2-pyridinyl)benzyl]pentyl}amino)carbonyl]-2,2-dimethylpropylcarbamateMethyl (S)-1-((2S,4S,5S)-5-((S)-2-(3-Benzyl-2-oxoimidazolidin-1-yl)-3,3-dimethylbutanamido)-4-hydroxy-6-phenyl-1-(4-(pyridin-2-yl)phenyl)hexan-2-ylamino)-3,3-dimethyl-1-oxobutan-2-ylcarbamatemethyl N-[(1S)-1-[[(1S,3S,4S)-4-[[(2S)-2-(3-benzyl-2-oxo-imidazolidin-1-yl)-3,3-dimethyl-butanoyl]amino]-3-hydroxy-5-phenyl-1-[[4-(2-pyridyl)phenyl]methyl]pentyl]carbamoyl]-2,2-dimethyl-propyl]carbamatemethyl(1S)-1-[({(1s,3s,4s)-4-{[(2s)-2-(3-benzyl-2-oxo-1-imidazolidinyl)-3,3-dimethylbutanoyl]amino}-3-hydroxy-5-phenyl-1-[4-(2-pyridinyl)benzyl]pentyl}amino)carbonyl]-2,2-dimethylpropylcarbamate
데이터베이스 식별자
- CAS
854758-17-1- PubChem CID
- 11274374
- ChEMBL
CHEMBL507731- UNII
- 114L0XB8FM
물성
구조 계산 물성
- XLogP
- 7.3
- 극성 표면적
- 153 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 19
- 무거운 원자 수
- 59
- 형식 전하
- 0
- 복잡도
- 1,340
화학 및 산업
공급사2 곳
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